N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

C13H16N2O2S — CID 47289091

IUPACN-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKeyGUMMRKWNILQOGK-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.83
Rot. Bonds2

About N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide (PubChem CID 47289091) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
PubChem CID47289091
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKeyGUMMRKWNILQOGK-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 120561677
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
CID 56800512
2-[bis(2-methylpropyl)amino]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 52855772
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide (CID 47289091) is N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.
What is the InChIKey of N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is GUMMRKWNILQOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16).
What are the key properties of N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 47289091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).